C17H25N5O7 guanosin, 2'-o- (2-metoxietyl) -N- (2-metyl-1-oxopropyl)-(9ci, en CI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 411.41 | - |
| Smältpunkt (experimentell) | 137-139,2 ° C | - |
| Densitet (förutspådd) | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 8.68 ± 0,20 | Mest sura temp: 25 ° C |
Kanoniska leenden o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3occoc
Isomera leenden o = c1c2 = c (n (c = n2) [c@h] 3 [c@h] (occoc) [c@h] (o) [c @@ h] (co) o3) nc (nc (c (c) c) = o) = n1
Tum
Inchi = 1S/C17H25N5O7/C1-8 (2) 14 (25) 20-17-19-13-10 (15 (26) 21-17) 18-7-22 (13) 16-12 (28-5-4-27-3) 11 (24) 9 (6-23) 29-16/H7-911-12,16,16,23-23-3 24H, 4-6H2,1-3H3, (H2,19,20,21,25,26)/T9-, 11-, 12-, 16-/m1/S1
Inchi -nyckel
Izoogjiuochaay-ubedbupssa-n
1 annat namn för detta ämne
2'-O- (2-metoxietyl) -N- (2-metyl-1-oxopropyl) guanosin (ACI)
| Egenskaper tillgängliga |
| Termisk |
Termisk
| Egendom | Värde | Skick | Källa |
| Smältpunkt | 137-139,2 ° C | (1) CAS | |
(1) Taj, Shabbir Ali S .; Nukleosider, nukleotider och nukleinsyror, (2008), 27 (9), 1024-1033, caplus
Spektra tillgängligt
1H NMR
13C NMR
IR
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.01 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 5.81 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 11.4 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 12.6 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 12.7 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 12.5 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 10.6 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 4.20 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | -2.44 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | -1,60 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | -0.84 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.55 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0,50 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0,50 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.51 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.58 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | -0,98 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.76 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | -0.497 ± 0,633 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 0,58 g/L | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 49 g/l | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 7,0 g/L | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,2 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,62 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,58 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,58 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,58 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,70 g/L | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,7 g/L | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 10 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Masslöslighet | 0,58 g/L | Obuffrat vatten pH 5,98; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 1,4 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,12 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,017 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,0 x 10-3 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,5 x 10-3 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-3 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-3 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-3 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,7 x 10-3 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,2 x 10-3 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,025 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,4 x 10-3 mol/l | Obuffrat vatten pH 5,98; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 411.41 | ||
| pka | 8.68 ± 0,20 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 3,05 ± 0,20 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 256,2 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 9 | (1) ACD | |
| H acceptorer | 12 | (1) ACD | |
| H givare | 4 | (1) ACD | |
| H givare/acceptor summa | 16 | (1) ACD | |
| inloggning | -0.497 ± 0,633 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 411.41 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 157 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
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